7-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonyl-3-propyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonyl-3-propyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)-3-propyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-oxomethyl]-3-propyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-3-propyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)-3-propyl-2-thioxo-quinazolin-4-olate Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)[O-]

Isomeric SMILES

CCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C23H31N5O3S/c1-2-10-28-20(30)17-7-6-16(15-18(17)25-22(28)32)19(29)26-13-8-23(9-14-26,21(24)31)27-11-4-3-5-12-27/h6-7,15,30H,2-5,8-14H2,1H3,(H2,24,31)